4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide

C12H20N2OS — CID 65241375

IUPAC4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
SMILESCc1cc(CNC(=O)CCC(C)N)sc1C
InChIInChI=1S/C12H20N2OS/c1-8-6-11(16-10(8)3)7-14-12(15)5-4-9(2)13/h6,9H,4-5,7,13H2,1-3H3,(H,14,15)
InChIKeyYBPBKOYUKXTNJH-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.11
Rot. Bonds5

About 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide

4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide (PubChem CID 65241375) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
PubChem CID65241375
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
SMILESCc1cc(CNC(=O)CCC(C)N)sc1C
InChIInChI=1S/C12H20N2OS/c1-8-6-11(16-10(8)3)7-14-12(15)5-4-9(2)13/h6,9H,4-5,7,13H2,1-3H3,(H,14,15)
InChIKeyYBPBKOYUKXTNJH-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
CID 65241813
4-amino-5-[(4,5-dimethylthiophen-2-yl)methylamino]-5-oxopentanoic acid
CID 65241327
3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107273159
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107905367
2-[2-[(4,5-dimethylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570047
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide
CID 65241174
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 79038909
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 65241218
(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 104898011
4-amino-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pentanamide
CID 115156732
methyl 2-[(4,5-dimethylthiophen-2-yl)methylamino]propanoate
CID 65243717
2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide
CID 65245641

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide (CID 65241375) is 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide is Cc1cc(CNC(=O)CCC(C)N)sc1C.
What is the InChIKey of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide?
The InChIKey is YBPBKOYUKXTNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-6-11(16-10(8)3)7-14-12(15)5-4-9(2)13/h6,9H,4-5,7,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide?
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide has a molecular weight of 240.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 65241375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).